Frequency dependence of W made simple using a multi-pole approximation
ORAL
Abstract
In the GW approximation, the screened interaction W is a non-local and dynamical potential that may have a complex structure in its frequency dependence. A full description of such dependence in a large energy range is in many cases prohibitive: for this reason, it is common practice to approximate it using a plasmon pole (PP) model. The PP approach may however fail for inhomogeneous systems, such as interfaces and defects, and also for some bulk materials, including e.g. metals.
In this work we explore a multi-pole approach for getting an effective representation of W. We show that optimal sampling strategies in the complex plane can lead to accuracies comparable with full-frequency methods at much lower costs, and discuss the application of such strategies to relevant prototype systems.
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Presenters
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Dario Leon Valido
Universit`adi Modena e Reggio Emilia, FIM Dept, University of Modena & Reggio Emilia
Authors
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Dario Leon Valido
Universit`adi Modena e Reggio Emilia, FIM Dept, University of Modena & Reggio Emilia
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Claudia Cardoso
Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze
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Daniele Varsano
Istituto Nanoscienze, Modena, Italy, CNR, CNR nano Modena, Italy, CNR - Istituto Nanoscienze, Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)
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Elisa Molinari
FIM, University of Modena, Italy, University of Modena & Reggio Emilia, Italy, University of Modena and Reggio Emilia, FIM Dept., Modena, Italy, FIM Dept, University of Modena & Reggio Emilia
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Andrea Ferretti
Centro S3, CNR–Istituto Nanoscienze, CNR nano Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)